A1ET4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | N2 | sing | 1.47Å | 1.46Å | |
| N1 | N2 | sing | 1.28Å | 1.35Å | Aromatic |
| N1 | C1 | doub | 1.31Å | 1.33Å | Aromatic |
| N2 | C2 | sing | 1.37Å | 1.36Å | Aromatic |
| F1 | C29 | sing | 1.40Å | 1.32Å | |
| O1 | C5 | doub | 1.22Å | 1.23Å | |
| C1 | C29 | sing | 1.51Å | 1.48Å | |
| C1 | C3 | sing | 1.40Å | 1.38Å | Aromatic |
| C2 | C5 | sing | 1.47Å | 1.47Å | |
| C2 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| F2 | C29 | sing | 1.40Å | 1.32Å | |
| C29 | F3 | sing | 1.40Å | 1.33Å | |
| C5 | N3 | sing | 1.35Å | 1.36Å | |
| N3 | C6 | sing | 1.40Å | 1.41Å | |
| C6 | C11 | doub | 1.39Å | 1.39Å | Aromatic |
| C6 | C7 | sing | 1.39Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| C7 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | C9 | doub | 1.38Å | 1.38Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.38Å | Aromatic |
| C9 | S1 | sing | 1.76Å | 1.76Å | |
| O3 | S1 | doub | 1.42Å | 1.43Å | |
| O2 | S1 | doub | 1.42Å | 1.43Å | |
| S1 | N4 | sing | 1.66Å | 1.62Å | |
| N4 | C12 | sing | 1.47Å | 1.51Å | |
| N4 | C16 | sing | 1.47Å | 1.48Å | |
| C13 | C12 | sing | 1.53Å | 1.52Å | |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C15 | C14 | sing | 1.53Å | 1.52Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| C17 | C18 | sing | 1.53Å | 1.52Å | |
| C18 | N5 | sing | 1.47Å | 1.46Å | |
| N5 | C22 | sing | 1.47Å | 1.47Å | |
| N5 | C19 | sing | 1.47Å | 1.46Å | |
| C22 | C21 | sing | 1.53Å | 1.51Å | |
| C21 | N6 | sing | 1.47Å | 1.46Å | |
| C19 | C20 | sing | 1.53Å | 1.52Å | |
| N6 | C20 | sing | 1.47Å | 1.46Å | |
| N6 | C23 | sing | 1.35Å | 1.35Å | |
| C23 | O4 | doub | 1.21Å | 1.24Å | |
| C23 | C24 | sing | 1.48Å | 1.48Å | |
| C24 | N7 | doub | 1.28Å | 1.31Å | |
| C26 | O5 | sing | 1.43Å | 1.42Å | |
| C26 | C25 | sing | 1.53Å | 1.50Å | |
| N7 | C25 | sing | 1.47Å | 1.48Å | |
| C25 | C28 | sing | 1.53Å | 1.50Å | |
| C25 | C27 | sing | 1.53Å | 1.49Å | |
| C28 | O7 | sing | 1.43Å | 1.42Å | |
| C27 | O6 | sing | 1.43Å | 1.42Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C11 | H2 | sing | 1.08Å | 1.08Å | |
| C12 | H3 | sing | 1.09Å | 1.10Å | |
| C12 | H4 | sing | 1.09Å | 1.10Å | |
| C13 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C14 | H7 | sing | 1.09Å | 1.10Å | |
| C14 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| C16 | H11 | sing | 1.09Å | 1.10Å | |
| C17 | H12 | sing | 1.09Å | 1.10Å | |
| C17 | H13 | sing | 1.09Å | 1.10Å | |
| C18 | H14 | sing | 1.09Å | 1.10Å | |
| C18 | H15 | sing | 1.09Å | 1.10Å | |
| C19 | H16 | sing | 1.09Å | 1.10Å | |
| C19 | H17 | sing | 1.09Å | 1.10Å | |
| C20 | H18 | sing | 1.09Å | 1.10Å | |
| C20 | H19 | sing | 1.09Å | 1.10Å | |
| C21 | H20 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H23 | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C26 | H25 | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H28 | sing | 1.09Å | 1.10Å | |
| C28 | H29 | sing | 1.09Å | 1.10Å | |
| C28 | H30 | sing | 1.09Å | 1.10Å | |
| C3 | H31 | sing | 1.08Å | 1.08Å | |
| C4 | H32 | sing | 1.09Å | 1.10Å | |
| C4 | H33 | sing | 1.09Å | 1.10Å | |
| C4 | H34 | sing | 1.09Å | 1.10Å | |
| C7 | H35 | sing | 1.08Å | 1.08Å | |
| C8 | H36 | sing | 1.08Å | 1.08Å | |
| N3 | H37 | sing | 0.97Å | 1.00Å | |
| O5 | H39 | sing | 0.97Å | 0.95Å | |
| O6 | H40 | sing | 0.97Å | 0.95Å | |
| O7 | H41 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C4 | N2 | N1 | 119.2° | 125.2° |
| C4 | N2 | C2 | 130.0° | 125.2° |
| N2 | C4 | H32 | 109.5° | 109.5° |
| N2 | C4 | H33 | 109.4° | 109.5° |
| N2 | C4 | H34 | 109.5° | 109.5° |
| N2 | N1 | C1 | 106.9° | 110.9° |
| N1 | N2 | C2 | 110.7° | 109.6° |
| N1 | C1 | C29 | 120.8° | 126.0° |
| N1 | C1 | C3 | 110.1° | 107.9° |
| N2 | C2 | C5 | 128.1° | 126.9° |
| N2 | C2 | C3 | 105.8° | 106.2° |
| F1 | C29 | C1 | 113.1° | 109.4° |
| F1 | C29 | F2 | 105.5° | 109.5° |
| F1 | C29 | F3 | 106.1° | 109.5° |
| O1 | C5 | C2 | 121.9° | 120.0° |
| O1 | C5 | N3 | 123.8° | 120.0° |
| C29 | C1 | C3 | 129.1° | 126.1° |
| C1 | C29 | F2 | 112.5° | 109.5° |
| C1 | C29 | F3 | 112.7° | 109.4° |
| C1 | C3 | C2 | 106.5° | 105.4° |
| C1 | C3 | H31 | 126.7° | 127.3° |
| C5 | C2 | C3 | 126.1° | 126.9° |
| C2 | C5 | N3 | 113.9° | 120.0° |
| C2 | C3 | H31 | 126.8° | 127.3° |
| F2 | C29 | F3 | 106.3° | 109.5° |
| C5 | N3 | C6 | 129.3° | 120.0° |
| C5 | N3 | H37 | 115.3° | 120.0° |
| N3 | C6 | C11 | 120.3° | 120.1° |
| N3 | C6 | C7 | 120.4° | 120.1° |
| C6 | N3 | H37 | 115.3° | 120.0° |
| C11 | C6 | C7 | 119.3° | 119.9° |
| C6 | C11 | C10 | 120.4° | 119.9° |
| C6 | C11 | H2 | 119.8° | 120.0° |
| C6 | C7 | C8 | 120.2° | 119.9° |
| C6 | C7 | H35 | 119.9° | 120.0° |
| C11 | C10 | C9 | 119.6° | 120.1° |
| C11 | C10 | H1 | 120.2° | 119.9° |
| C10 | C11 | H2 | 119.8° | 120.0° |
| C7 | C8 | C9 | 119.7° | 120.1° |
| C8 | C7 | H35 | 119.9° | 120.1° |
| C7 | C8 | H36 | 120.1° | 120.0° |
| C10 | C9 | C8 | 120.7° | 120.1° |
| C10 | C9 | S1 | 119.5° | 119.9° |
| C9 | C10 | H1 | 120.2° | 120.0° |
| C8 | C9 | S1 | 119.7° | 119.9° |
| C9 | C8 | H36 | 120.1° | 119.9° |
| C9 | S1 | O3 | 107.8° | 106.4° |
| C9 | S1 | O2 | 107.5° | 106.4° |
| C9 | S1 | N4 | 107.3° | 107.2° |
| O3 | S1 | O2 | 119.7° | 123.2° |
| O3 | S1 | N4 | 107.0° | 106.4° |
| O2 | S1 | N4 | 107.0° | 106.4° |
| S1 | N4 | C12 | 117.6° | 120.6° |
| S1 | N4 | C16 | 122.3° | 120.7° |
| C12 | N4 | C16 | 115.1° | 118.7° |
| N4 | C12 | C13 | 109.2° | 108.9° |
| N4 | C12 | H3 | 109.5° | 109.5° |
| N4 | C12 | H4 | 109.5° | 109.6° |
| N4 | C16 | C15 | 109.1° | 108.9° |
| N4 | C16 | C17 | 110.7° | 109.6° |
| N4 | C16 | H11 | 108.4° | 109.5° |
| C12 | C13 | C14 | 110.7° | 109.3° |
| C13 | C12 | H3 | 109.5° | 109.6° |
| C13 | C12 | H4 | 109.6° | 109.6° |
| C12 | C13 | H5 | 109.2° | 109.5° |
| C12 | C13 | H6 | 109.1° | 109.6° |
| C13 | C14 | C15 | 110.0° | 109.5° |
| C14 | C13 | H5 | 109.2° | 109.5° |
| C14 | C13 | H6 | 109.2° | 109.5° |
| C13 | C14 | H7 | 109.3° | 109.5° |
| C13 | C14 | H8 | 109.3° | 109.5° |
| C16 | C15 | C14 | 111.7° | 109.3° |
| C15 | C16 | C17 | 113.0° | 109.6° |
| C16 | C15 | H9 | 108.9° | 109.5° |
| C16 | C15 | H10 | 108.9° | 109.5° |
| C15 | C16 | H11 | 107.7° | 109.6° |
| C15 | C14 | H7 | 109.3° | 109.4° |
| C15 | C14 | H8 | 109.4° | 109.5° |
| C14 | C15 | H9 | 108.9° | 109.5° |
| C14 | C15 | H10 | 108.9° | 109.4° |
| C16 | C17 | C18 | 112.7° | 109.5° |
| C17 | C16 | H11 | 107.8° | 109.6° |
| C16 | C17 | H12 | 108.7° | 109.5° |
| C16 | C17 | H13 | 108.7° | 109.5° |
| C17 | C18 | N5 | 114.5° | 109.5° |
| C18 | C17 | H12 | 108.7° | 109.4° |
| C18 | C17 | H13 | 108.6° | 109.4° |
| C17 | C18 | H14 | 108.2° | 109.5° |
| C17 | C18 | H15 | 108.2° | 109.5° |
| C18 | N5 | C22 | 110.9° | 111.0° |
| C18 | N5 | C19 | 110.2° | 111.0° |
| N5 | C18 | H14 | 108.2° | 109.5° |
| N5 | C18 | H15 | 108.2° | 109.5° |
| C22 | N5 | C19 | 111.5° | 111.3° |
| N5 | C22 | C21 | 112.7° | 109.3° |
| N5 | C22 | H22 | 108.7° | 109.5° |
| N5 | C22 | H23 | 108.7° | 109.5° |
| N5 | C19 | C20 | 111.8° | 109.4° |
| N5 | C19 | H16 | 108.9° | 109.5° |
| N5 | C19 | H17 | 108.9° | 109.5° |
| C22 | C21 | N6 | 109.7° | 108.5° |
| C22 | C21 | H20 | 109.4° | 109.6° |
| C22 | C21 | H21 | 109.4° | 109.9° |
| C21 | C22 | H22 | 108.7° | 109.5° |
| C21 | C22 | H23 | 108.7° | 109.5° |
| C21 | N6 | C20 | 113.9° | 118.2° |
| C21 | N6 | C23 | 122.5° | 120.9° |
| N6 | C21 | H20 | 109.4° | 109.6° |
| N6 | C21 | H21 | 109.4° | 109.6° |
| C19 | C20 | N6 | 111.0° | 108.5° |
| C20 | C19 | H16 | 108.9° | 109.5° |
| C20 | C19 | H17 | 108.9° | 109.5° |
| C19 | C20 | H18 | 109.1° | 109.6° |
| C19 | C20 | H19 | 109.1° | 109.7° |
| C20 | N6 | C23 | 123.5° | 120.9° |
| N6 | C20 | H18 | 109.1° | 109.6° |
| N6 | C20 | H19 | 109.1° | 109.8° |
| N6 | C23 | O4 | 119.5° | 120.0° |
| N6 | C23 | C24 | 116.7° | 120.0° |
| O4 | C23 | C24 | 123.8° | 120.0° |
| C23 | C24 | N7 | 135.6° | 120.1° |
| C23 | C24 | H24 | 112.2° | 120.0° |
| C24 | N7 | C25 | 126.8° | 120.0° |
| N7 | C24 | H24 | 112.2° | 119.9° |
| O5 | C26 | C25 | 114.3° | 109.5° |
| O5 | C26 | H25 | 108.2° | 109.5° |
| O5 | C26 | H26 | 108.2° | 109.5° |
| C26 | O5 | H39 | 109.5° | 114.0° |
| C26 | C25 | N7 | 111.2° | 109.5° |
| C26 | C25 | C28 | 113.8° | 109.4° |
| C26 | C25 | C27 | 107.8° | 109.5° |
| C25 | C26 | H25 | 108.3° | 109.4° |
| C25 | C26 | H26 | 108.3° | 109.4° |
| N7 | C25 | C28 | 109.7° | 109.5° |
| N7 | C25 | C27 | 106.1° | 109.4° |
| C28 | C25 | C27 | 107.8° | 109.5° |
| C25 | C28 | O7 | 114.1° | 109.5° |
| C25 | C28 | H29 | 108.3° | 109.5° |
| C25 | C28 | H30 | 108.3° | 109.5° |
| C25 | C27 | O6 | 112.6° | 109.5° |
| C25 | C27 | H27 | 108.7° | 109.5° |
| C25 | C27 | H28 | 108.7° | 109.4° |
| O7 | C28 | H29 | 108.3° | 109.5° |
| O7 | C28 | H30 | 108.3° | 109.4° |
| C28 | O7 | H41 | 109.5° | 114.1° |
| O6 | C27 | H27 | 108.7° | 109.5° |
| O6 | C27 | H28 | 108.7° | 109.4° |
| C27 | O6 | H40 | 109.5° | 114.0° |
| H3 | C12 | H4 | 109.5° | 109.6° |
| H5 | C13 | H6 | 109.5° | 109.5° |
| H7 | C14 | H8 | 109.5° | 109.5° |
| H9 | C15 | H10 | 109.5° | 109.6° |
| H12 | C17 | H13 | 109.5° | 109.5° |
| H14 | C18 | H15 | 109.5° | 109.4° |
| H16 | C19 | H17 | 109.5° | 109.5° |
| H18 | C20 | H19 | 109.5° | 109.6° |
| H20 | C21 | H21 | 109.5° | 109.6° |
| H22 | C22 | H23 | 109.5° | 109.5° |
| H25 | C26 | H26 | 109.5° | 109.5° |
| H27 | C27 | H28 | 109.5° | 109.5° |
| H29 | C28 | H30 | 109.4° | 109.4° |
| H32 | C4 | H33 | 109.5° | 109.5° |
| H32 | C4 | H34 | 109.4° | 109.4° |
| H33 | C4 | H34 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C4 | N2 | N1 | C2 | 179.4° | 179.8° |
| C4 | N2 | N1 | C1 | 179.4° | 180.0° |
| C4 | N2 | C2 | C5 | 1.7° | 0.1° |
| C4 | N2 | C2 | C3 | 179.7° | 179.8° |
| N2 | C4 | H32 | H33 | 120.0° | 120.0° |
| N2 | C4 | H32 | H34 | 120.0° | 120.0° |
| N2 | C4 | H33 | H34 | 120.0° | 120.0° |
| N2 | N1 | C1 | C29 | 180.0° | 180.0° |
| N2 | N1 | C1 | C3 | 0.5° | 0.3° |
| N1 | N2 | C2 | C5 | 179.0° | 179.8° |
| N1 | N2 | C2 | C3 | 0.4° | 0.0° |
| N1 | N2 | C4 | H32 | 0.0° | 95.9° |
| N1 | N2 | C4 | H33 | 120.0° | 144.0° |
| N1 | N2 | C4 | H34 | 120.0° | 24.0° |
| C1 | N1 | N2 | C2 | 0.0° | 0.2° |
| N1 | C1 | C29 | F1 | 38.0° | 29.7° |
| N1 | C1 | C29 | C3 | 179.4° | 179.7° |
| N1 | C1 | C3 | C2 | 0.7° | 0.2° |
| N1 | C1 | C29 | F2 | 81.4° | 149.7° |
| N1 | C1 | C29 | F3 | 158.4° | 90.3° |
| N1 | C1 | C3 | H31 | 179.3° | 179.8° |
| N2 | C2 | C5 | O1 | 27.7° | 4.8° |
| N2 | C2 | C3 | C1 | 0.6° | 0.1° |
| N2 | C2 | C5 | C3 | 178.3° | 179.8° |
| N2 | C2 | C5 | N3 | 159.1° | 175.2° |
| N2 | C2 | C3 | H31 | 179.4° | 179.9° |
| C2 | N2 | C4 | H32 | 179.3° | 84.3° |
| C2 | N2 | C4 | H33 | 59.3° | 35.7° |
| C2 | N2 | C4 | H34 | 60.7° | 155.7° |
| F1 | C29 | C1 | F2 | 119.4° | 120.0° |
| F1 | C29 | C1 | F3 | 120.4° | 120.0° |
| F1 | C29 | C1 | C3 | 141.4° | 150.0° |
| F1 | C29 | F2 | F3 | 112.4° | 120.1° |
| O1 | C5 | C2 | N3 | 173.2° | 180.0° |
| O1 | C5 | C2 | C3 | 150.7° | 175.1° |
| O1 | C5 | N3 | C6 | 10.2° | 3.4° |
| O1 | C5 | N3 | H37 | 169.8° | 176.6° |
| C29 | C1 | C3 | C2 | 179.8° | 180.0° |
| C1 | C29 | F2 | F3 | 123.9° | 120.0° |
| C29 | C1 | C3 | H31 | 0.1° | 0.0° |
| C1 | C3 | C2 | C5 | 179.3° | 180.0° |
| C1 | C3 | C2 | H31 | 180.0° | 180.0° |
| C3 | C1 | C29 | F2 | 99.2° | 30.0° |
| C3 | C1 | C29 | F3 | 21.0° | 90.0° |
| C2 | C5 | N3 | C6 | 162.9° | 176.6° |
| C5 | C2 | C3 | H31 | 0.7° | 0.0° |
| C2 | C5 | N3 | H37 | 17.1° | 3.4° |
| C3 | C2 | C5 | N3 | 22.6° | 5.0° |
| C5 | N3 | C6 | H37 | 180.0° | 179.9° |
| C5 | N3 | C6 | C11 | 39.3° | 146.3° |
| C5 | N3 | C6 | C7 | 143.8° | 33.7° |
| N3 | C6 | C11 | C7 | 176.9° | 180.0° |
| N3 | C6 | C11 | C10 | 178.8° | 180.0° |
| N3 | C6 | C7 | C8 | 178.8° | 180.0° |
| N3 | C6 | C11 | H2 | 1.2° | 0.0° |
| N3 | C6 | C7 | H35 | 1.2° | 0.0° |
| C6 | C11 | C10 | H2 | 180.0° | 180.0° |
| C11 | C6 | C7 | C8 | 1.9° | 0.0° |
| C6 | C11 | C10 | C9 | 1.1° | 0.0° |
| C6 | C11 | C10 | H1 | 179.0° | 179.7° |
| C11 | C6 | C7 | H35 | 178.2° | 180.0° |
| C11 | C6 | N3 | H37 | 140.7° | 33.7° |
| C7 | C6 | C11 | C10 | 1.8° | 0.0° |
| C6 | C7 | C8 | H35 | 180.0° | 180.0° |
| C6 | C7 | C8 | C9 | 1.1° | 0.0° |
| C7 | C6 | C11 | H2 | 178.1° | 180.0° |
| C6 | C7 | C8 | H36 | 178.9° | 180.0° |
| C7 | C6 | N3 | H37 | 36.2° | 146.3° |
| C11 | C10 | C9 | H1 | 180.0° | 179.7° |
| C11 | C10 | C9 | C8 | 0.3° | 0.0° |
| C11 | C10 | C9 | S1 | 179.8° | 179.7° |
| C7 | C8 | C9 | C10 | 0.3° | 0.1° |
| C7 | C8 | C9 | H36 | 180.0° | 180.0° |
| C7 | C8 | C9 | S1 | 179.7° | 179.7° |
| C10 | C9 | C8 | S1 | 180.0° | 179.8° |
| C10 | C9 | S1 | O3 | 19.6° | 16.7° |
| C10 | C9 | S1 | O2 | 149.9° | 149.6° |
| C10 | C9 | S1 | N4 | 95.3° | 96.9° |
| C9 | C10 | C11 | H2 | 178.9° | 180.0° |
| C10 | C9 | C8 | H36 | 179.7° | 180.0° |
| C8 | C9 | S1 | O3 | 160.4° | 163.1° |
| C8 | C9 | S1 | O2 | 30.1° | 30.2° |
| C8 | C9 | S1 | N4 | 84.7° | 83.3° |
| C8 | C9 | C10 | H1 | 179.7° | 179.7° |
| C9 | C8 | C7 | H35 | 178.9° | 180.0° |
| C9 | S1 | O3 | O2 | 123.1° | 123.0° |
| C9 | S1 | O3 | N4 | 115.2° | 114.1° |
| C9 | S1 | O2 | N4 | 115.0° | 114.1° |
| C9 | S1 | N4 | C12 | 75.2° | 98.4° |
| C9 | S1 | N4 | C16 | 78.8° | 81.8° |
| S1 | C9 | C10 | H1 | 0.2° | 0.0° |
| S1 | C9 | C8 | H36 | 0.3° | 0.3° |
| O3 | S1 | O2 | N4 | 121.7° | 122.9° |
| O3 | S1 | N4 | C12 | 40.3° | 148.1° |
| O3 | S1 | N4 | C16 | 165.7° | 31.7° |
| O2 | S1 | N4 | C12 | 169.7° | 15.2° |
| O2 | S1 | N4 | C16 | 36.3° | 164.6° |
| S1 | N4 | C12 | C16 | 155.8° | 179.8° |
| S1 | N4 | C12 | C13 | 99.4° | 126.4° |
| S1 | N4 | C16 | C15 | 99.8° | 126.5° |
| S1 | N4 | C16 | C17 | 135.2° | 6.6° |
| S1 | N4 | C12 | H3 | 20.6° | 6.7° |
| S1 | N4 | C12 | H4 | 140.7° | 113.7° |
| S1 | N4 | C16 | H11 | 17.2° | 113.7° |
| N4 | C12 | C13 | H3 | 119.9° | 119.8° |
| N4 | C12 | C13 | H4 | 120.0° | 119.9° |
| N4 | C12 | C13 | C14 | 56.3° | 54.6° |
| C12 | N4 | C16 | C15 | 54.8° | 53.3° |
| C12 | N4 | C16 | C17 | 70.2° | 173.2° |
| N4 | C12 | H3 | H4 | 120.1° | 120.3° |
| N4 | C12 | C13 | H5 | 63.9° | 174.5° |
| N4 | C12 | C13 | H6 | 176.5° | 65.4° |
| C12 | N4 | C16 | H11 | 171.8° | 66.5° |
| C16 | N4 | C12 | C13 | 56.5° | 53.4° |
| N4 | C16 | C15 | C17 | 123.6° | 119.9° |
| N4 | C16 | C15 | H11 | 117.4° | 119.8° |
| N4 | C16 | C15 | C14 | 54.1° | 54.5° |
| N4 | C16 | C17 | H11 | 118.3° | 120.2° |
| N4 | C16 | C17 | C18 | 73.3° | 170.5° |
| C16 | N4 | C12 | H3 | 176.4° | 173.1° |
| C16 | N4 | C12 | H4 | 63.5° | 66.5° |
| N4 | C16 | C15 | H9 | 174.4° | 174.5° |
| N4 | C16 | C15 | H10 | 66.2° | 65.3° |
| N4 | C16 | C17 | H12 | 166.2° | 69.5° |
| N4 | C16 | C17 | H13 | 47.2° | 50.6° |
| C12 | C13 | C14 | H5 | 120.2° | 119.9° |
| C12 | C13 | C14 | H6 | 120.2° | 120.0° |
| C12 | C13 | C14 | C15 | 58.0° | 61.4° |
| C13 | C12 | H3 | H4 | 120.2° | 120.3° |
| C12 | C13 | H5 | H6 | 119.4° | 120.1° |
| C12 | C13 | C14 | H7 | 178.1° | 58.6° |
| C12 | C13 | C14 | H8 | 62.1° | 178.6° |
| C13 | C14 | C15 | C16 | 56.9° | 61.3° |
| C13 | C14 | C15 | H7 | 120.1° | 120.0° |
| C13 | C14 | C15 | H8 | 120.1° | 120.0° |
| C14 | C13 | C12 | H3 | 176.3° | 174.4° |
| C14 | C13 | C12 | H4 | 63.6° | 65.3° |
| C14 | C13 | H5 | H6 | 119.4° | 120.1° |
| C13 | C14 | H7 | H8 | 119.7° | 120.0° |
| C13 | C14 | C15 | H9 | 177.2° | 178.7° |
| C13 | C14 | C15 | H10 | 63.4° | 58.6° |
| C16 | C15 | C14 | H9 | 120.3° | 120.0° |
| C16 | C15 | C14 | H10 | 120.3° | 119.9° |
| C15 | C16 | C17 | H11 | 118.9° | 120.3° |
| C15 | C16 | C17 | C18 | 163.9° | 70.0° |
| C16 | C15 | C14 | H7 | 177.0° | 58.7° |
| C16 | C15 | C14 | H8 | 63.2° | 178.7° |
| C16 | C15 | H9 | H10 | 119.0° | 120.1° |
| C15 | C16 | C17 | H12 | 43.4° | 50.0° |
| C15 | C16 | C17 | H13 | 75.6° | 170.0° |
| C14 | C15 | C16 | C17 | 69.6° | 174.4° |
| C15 | C14 | C13 | H5 | 62.2° | 178.7° |
| C15 | C14 | C13 | H6 | 178.2° | 58.6° |
| C15 | C14 | H7 | H8 | 119.8° | 120.0° |
| C14 | C15 | H9 | H10 | 119.0° | 120.0° |
| C14 | C15 | C16 | H11 | 171.5° | 65.3° |
| C16 | C17 | C18 | H12 | 120.5° | 120.0° |
| C16 | C17 | C18 | H13 | 120.5° | 120.0° |
| C16 | C17 | C18 | N5 | 177.7° | 176.9° |
| C17 | C16 | C15 | H9 | 50.8° | 65.6° |
| C17 | C16 | C15 | H10 | 170.1° | 54.5° |
| C16 | C17 | H12 | H13 | 118.5° | 120.1° |
| C16 | C17 | C18 | H14 | 56.9° | 56.9° |
| C16 | C17 | C18 | H15 | 61.6° | 63.1° |
| C17 | C18 | N5 | H14 | 120.7° | 120.0° |
| C17 | C18 | N5 | H15 | 120.8° | 120.0° |
| C17 | C18 | N5 | C22 | 166.7° | 162.7° |
| C17 | C18 | N5 | C19 | 69.3° | 72.9° |
| C18 | C17 | C16 | H11 | 45.0° | 50.3° |
| C18 | C17 | H12 | H13 | 118.5° | 119.9° |
| C17 | C18 | H14 | H15 | 117.7° | 120.0° |
| C18 | N5 | C22 | C19 | 123.2° | 124.2° |
| C18 | N5 | C22 | C21 | 111.8° | 172.7° |
| C18 | N5 | C19 | C20 | 169.5° | 172.7° |
| N5 | C18 | C17 | H12 | 61.8° | 63.0° |
| N5 | C18 | C17 | H13 | 57.2° | 56.9° |
| N5 | C18 | H14 | H15 | 117.7° | 119.9° |
| C18 | N5 | C19 | H16 | 70.2° | 67.3° |
| C18 | N5 | C19 | H17 | 49.1° | 52.7° |
| C18 | N5 | C22 | H22 | 8.7° | 52.8° |
| C18 | N5 | C22 | H23 | 127.7° | 67.3° |
| N5 | C22 | C21 | H22 | 120.5° | 120.0° |
| N5 | C22 | C21 | H23 | 120.5° | 120.0° |
| N5 | C22 | C21 | N6 | 59.5° | 53.8° |
| C22 | N5 | C19 | C20 | 45.9° | 63.1° |
| C22 | N5 | C18 | H14 | 72.5° | 77.2° |
| C22 | N5 | C18 | H15 | 46.0° | 42.7° |
| C22 | N5 | C19 | H16 | 166.2° | 56.8° |
| C22 | N5 | C19 | H17 | 74.4° | 176.9° |
| N5 | C22 | C21 | H20 | 60.5° | 173.5° |
| N5 | C22 | C21 | H21 | 179.5° | 66.0° |
| N5 | C22 | H22 | H23 | 118.5° | 120.1° |
| C19 | N5 | C22 | C21 | 11.4° | 63.1° |
| N5 | C19 | C20 | H16 | 120.3° | 119.9° |
| N5 | C19 | C20 | H17 | 120.4° | 120.0° |
| N5 | C19 | C20 | N6 | 58.6° | 53.8° |
| C19 | N5 | C18 | H14 | 51.4° | 47.1° |
| C19 | N5 | C18 | H15 | 169.9° | 167.0° |
| N5 | C19 | H16 | H17 | 119.0° | 120.1° |
| N5 | C19 | C20 | H18 | 61.6° | 65.9° |
| N5 | C19 | C20 | H19 | 178.8° | 173.7° |
| C19 | N5 | C22 | H22 | 131.9° | 176.9° |
| C19 | N5 | C22 | H23 | 109.1° | 56.9° |
| C22 | C21 | N6 | H20 | 120.0° | 119.7° |
| C22 | C21 | N6 | H21 | 120.0° | 120.0° |
| C22 | C21 | N6 | C20 | 46.8° | 51.2° |
| C22 | C21 | N6 | C23 | 131.9° | 128.8° |
| C22 | C21 | H20 | H21 | 119.9° | 120.7° |
| C21 | C22 | H22 | H23 | 118.6° | 120.1° |
| C21 | N6 | C20 | C19 | 9.2° | 51.2° |
| C21 | N6 | C20 | C23 | 178.7° | 180.0° |
| C21 | N6 | C23 | O4 | 27.8° | 4.9° |
| C21 | N6 | C23 | C24 | 151.5° | 175.1° |
| C21 | N6 | C20 | H18 | 111.0° | 68.5° |
| C21 | N6 | C20 | H19 | 129.5° | 171.0° |
| N6 | C21 | H20 | H21 | 119.9° | 120.3° |
| N6 | C21 | C22 | H22 | 180.0° | 173.8° |
| N6 | C21 | C22 | H23 | 61.0° | 66.1° |
| C19 | C20 | N6 | H18 | 120.2° | 119.7° |
| C19 | C20 | N6 | H19 | 120.3° | 119.8° |
| C19 | C20 | N6 | C23 | 172.1° | 128.8° |
| C20 | C19 | H16 | H17 | 118.9° | 120.1° |
| C19 | C20 | H18 | H19 | 119.3° | 120.4° |
| C20 | N6 | C23 | O4 | 150.8° | 175.1° |
| C20 | N6 | C23 | C24 | 29.9° | 4.9° |
| N6 | C20 | C19 | H16 | 178.9° | 66.1° |
| N6 | C20 | C19 | H17 | 61.8° | 173.8° |
| N6 | C20 | H18 | H19 | 119.3° | 120.6° |
| C20 | N6 | C21 | H20 | 73.2° | 170.9° |
| C20 | N6 | C21 | H21 | 166.8° | 68.8° |
| N6 | C23 | O4 | C24 | 179.2° | 180.0° |
| N6 | C23 | C24 | N7 | 177.2° | 174.6° |
| C23 | N6 | C20 | H18 | 67.7° | 111.5° |
| C23 | N6 | C20 | H19 | 51.8° | 9.0° |
| C23 | N6 | C21 | H20 | 108.1° | 9.1° |
| C23 | N6 | C21 | H21 | 11.9° | 111.2° |
| N6 | C23 | C24 | H24 | 2.8° | 5.4° |
| O4 | C23 | C24 | N7 | 2.0° | 5.4° |
| O4 | C23 | C24 | H24 | 178.0° | 174.6° |
| C23 | C24 | N7 | H24 | 180.0° | 180.0° |
| C23 | C24 | N7 | C25 | 1.2° | 9.3° |
| C24 | N7 | C25 | C26 | 61.1° | 64.1° |
| C24 | N7 | C25 | C28 | 65.7° | 176.0° |
| C24 | N7 | C25 | C27 | 178.1° | 56.0° |
| O5 | C26 | C25 | H25 | 120.7° | 120.0° |
| O5 | C26 | C25 | H26 | 120.7° | 120.0° |
| O5 | C26 | C25 | N7 | 174.1° | 104.5° |
| O5 | C26 | C25 | C28 | 61.4° | 15.5° |
| O5 | C26 | C25 | C27 | 58.2° | 135.6° |
| O5 | C26 | H25 | H26 | 117.8° | 120.1° |
| C26 | C25 | N7 | C28 | 126.8° | 120.0° |
| C26 | C25 | N7 | C27 | 117.0° | 120.0° |
| C26 | C25 | C28 | C27 | 119.6° | 120.1° |
| C26 | C25 | C28 | O7 | 60.7° | 60.1° |
| C26 | C25 | C27 | O6 | 176.7° | 160.5° |
| C25 | C26 | H25 | H26 | 117.8° | 120.0° |
| C26 | C25 | C27 | H27 | 56.2° | 79.4° |
| C26 | C25 | C27 | H28 | 62.9° | 40.6° |
| C26 | C25 | C28 | H29 | 60.0° | 60.0° |
| C26 | C25 | C28 | H30 | 178.6° | 180.0° |
| C25 | C26 | O5 | H39 | 180.0° | 180.0° |
| N7 | C25 | C28 | C27 | 115.1° | 120.0° |
| N7 | C25 | C28 | O7 | 174.0° | 179.9° |
| N7 | C25 | C27 | O6 | 57.4° | 79.5° |
| C25 | N7 | C24 | H24 | 178.8° | 170.7° |
| N7 | C25 | C26 | H25 | 65.2° | 135.5° |
| N7 | C25 | C26 | H26 | 53.4° | 15.6° |
| N7 | C25 | C27 | H27 | 63.0° | 40.6° |
| N7 | C25 | C27 | H28 | 177.9° | 160.6° |
| N7 | C25 | C28 | H29 | 65.3° | 60.0° |
| N7 | C25 | C28 | H30 | 53.3° | 60.0° |
| C25 | C28 | O7 | H29 | 120.7° | 120.1° |
| C25 | C28 | O7 | H30 | 120.7° | 120.0° |
| C28 | C25 | C27 | O6 | 60.1° | 40.5° |
| C28 | C25 | C26 | H25 | 59.3° | 104.5° |
| C28 | C25 | C26 | H26 | 177.9° | 135.5° |
| C28 | C25 | C27 | H27 | 179.5° | 160.6° |
| C28 | C25 | C27 | H28 | 60.4° | 79.4° |
| C25 | C28 | H29 | H30 | 117.9° | 120.0° |
| C25 | C28 | O7 | H41 | 180.0° | 180.0° |
| C27 | C25 | C28 | O7 | 58.9° | 60.0° |
| C25 | C27 | O6 | H27 | 120.5° | 120.0° |
| C25 | C27 | O6 | H28 | 120.5° | 119.9° |
| C27 | C25 | C26 | H25 | 178.9° | 15.5° |
| C27 | C25 | C26 | H26 | 62.5° | 104.4° |
| C25 | C27 | H27 | H28 | 118.6° | 120.0° |
| C27 | C25 | C28 | H29 | 179.6° | 179.9° |
| C27 | C25 | C28 | H30 | 61.8° | 60.0° |
| C25 | C27 | O6 | H40 | 180.0° | 180.0° |
| O7 | C28 | H29 | H30 | 117.9° | 119.9° |
| O6 | C27 | H27 | H28 | 118.6° | 120.0° |
| H1 | C10 | C11 | H2 | 1.1° | 0.3° |
| H3 | C12 | C13 | H5 | 56.1° | 65.7° |
| H3 | C12 | C13 | H6 | 63.5° | 54.4° |
| H4 | C12 | C13 | H5 | 176.2° | 54.6° |
| H4 | C12 | C13 | H6 | 56.6° | 174.7° |
| H5 | C13 | C14 | H7 | 57.9° | 61.4° |
| H5 | C13 | C14 | H8 | 177.7° | 58.7° |
| H6 | C13 | C14 | H7 | 61.7° | 178.6° |
| H6 | C13 | C14 | H8 | 58.1° | 61.4° |
| H7 | C14 | C15 | H9 | 62.7° | 61.3° |
| H7 | C14 | C15 | H10 | 56.7° | 178.6° |
| H8 | C14 | C15 | H9 | 57.1° | 58.7° |
| H8 | C14 | C15 | H10 | 176.5° | 61.4° |
| H9 | C15 | C16 | H11 | 68.2° | 54.7° |
| H10 | C15 | C16 | H11 | 51.2° | 174.9° |
| H11 | C16 | C17 | H12 | 75.5° | 170.3° |
| H11 | C16 | C17 | H13 | 165.5° | 69.7° |
| H12 | C17 | C18 | H14 | 177.4° | 176.9° |
| H12 | C17 | C18 | H15 | 58.9° | 57.0° |
| H13 | C17 | C18 | H14 | 63.6° | 63.1° |
| H13 | C17 | C18 | H15 | 177.9° | 176.9° |
| H16 | C19 | C20 | H18 | 58.7° | 174.2° |
| H16 | C19 | C20 | H19 | 60.9° | 53.8° |
| H17 | C19 | C20 | H18 | 178.0° | 54.1° |
| H17 | C19 | C20 | H19 | 58.5° | 66.3° |
| H20 | C21 | C22 | H22 | 60.0° | 66.5° |
| H20 | C21 | C22 | H23 | 179.1° | 53.5° |
| H21 | C21 | C22 | H22 | 60.0° | 54.0° |
| H21 | C21 | C22 | H23 | 59.1° | 174.1° |
| H25 | C26 | O5 | H39 | 59.3° | 60.0° |
| H26 | C26 | O5 | H39 | 59.3° | 60.0° |
| H27 | C27 | O6 | H40 | 59.5° | 60.0° |
| H28 | C27 | O6 | H40 | 59.5° | 60.1° |
| H29 | C28 | O7 | H41 | 59.3° | 59.9° |
| H30 | C28 | O7 | H41 | 59.3° | 60.1° |
| H32 | C4 | H33 | H34 | 120.0° | 120.0° |
| H35 | C7 | C8 | H36 | 1.1° | 0.0° |
